Background discussions on major methods like Density Functional Theory (DFT), CASSCF, and relativistic effects for heavy atoms. expchem3.com Where to Find the Book
Are you looking to calculate a (e.g., reaction barriers, NMR shifts, or excited states)?
“I want a basic intro to get you started with exercises and have access to Gaussian, this is a good book to keep handy.” Reddit · r/comp_chem
If you are looking for the best way to utilize this resource, here is a deep dive into why this edition is essential and how to approach it. Why the 3rd Edition is the Industry Standard